Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N9HBT62EHK
EPA CompTox DTXSID0060517

Structure

InChI Key VHFUHRXYRYWELT-UHFFFAOYSA-N
Smiles COC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C3H3Cl3O2/c1-8-2(7)3(4,5)6/h1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H3Cl3O2
Molecular Weight 175.92
AlogP 1.53
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 598-99-2
NORMAN SUSDAT
FDA SRS N9HBT62EHK
PubChem 11739
ChemSpider 11246.0